1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

C17H12F3N3O — CID 141207933

IUPAC1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)cn1
InChIInChI=1S/C17H12F3N3O/c1-23-9-10(8-21-23)17(24)22-16-5-3-2-4-11(16)12-6-14(19)15(20)7-13(12)18/h2-9H,1H3,(H,22,24)
InChIKeyBDYJQVFGXADEDQ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.76
Rot. Bonds3

About 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide (PubChem CID 141207933) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
PubChem CID141207933
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)cn1
InChIInChI=1S/C17H12F3N3O/c1-23-9-10(8-21-23)17(24)22-16-5-3-2-4-11(16)12-6-14(19)15(20)7-13(12)18/h2-9H,1H3,(H,22,24)
InChIKeyBDYJQVFGXADEDQ-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43101403
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(4-hydroxy-2-methylsulfanylphenyl)-1-methylpyrazole-4-carboxamide
CID 91653086
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide (CID 141207933) is 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)cn1.
What is the InChIKey of 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is BDYJQVFGXADEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-23-9-10(8-21-23)17(24)22-16-5-3-2-4-11(16)12-6-14(19)15(20)7-13(12)18/h2-9H,1H3,(H,22,24).
What are the key properties of 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 141207933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).